methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate

C14H15FN2O2S — CID 107039932

IUPACmethyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(Nc2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H15FN2O2S/c1-9-3-4-10(7-12(9)15)16-14-17-11(8-20-14)5-6-13(18)19-2/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyOVLXSAOYEKFPRS-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.44
Rot. Bonds5

About methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate

methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate (PubChem CID 107039932) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate
PubChem CID107039932
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Namemethyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(Nc2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H15FN2O2S/c1-9-3-4-10(7-12(9)15)16-14-17-11(8-20-14)5-6-13(18)19-2/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyOVLXSAOYEKFPRS-UHFFFAOYSA-N
XLogP3.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-(3-chloro-4-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039867
methyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039928
methyl 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]propanoate
CID 107039927
methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039914
ethyl 3-[2-(3,5-difluoroanilino)-1,3-thiazol-4-yl]propanoate
CID 103486013
ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate
CID 103486018
N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30860051
ethyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 103486000
ethyl 2-[2-(4-chloro-3-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80575899
4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 83152809
methyl 3-[2-(3-bromo-2-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107638494
methyl 3-[2-[2-(carbamoylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 107040580

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate (CID 107039932) is methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate is COC(=O)CCc1csc(Nc2ccc(C)c(F)c2)n1.
What is the InChIKey of methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is OVLXSAOYEKFPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9-3-4-10(7-12(9)15)16-14-17-11(8-20-14)5-6-13(18)19-2/h3-4,7-8H,5-6H2,1-2H3,(H,16,17).
What are the key properties of methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 294.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107039932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).